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Home > Encyclopedia > 3,5-Dibromobenzyl cyanide

3,5-Dibromobenzyl cyanide

3,5-Dibromobenzyl cyanide structure

3,5-Dibromobenzyl cyanide 

structure
  • CAS No:

    188347-48-0

  • Formula:

    C8H5Br2N

  • Chemical Name:

    3,5-Dibromobenzyl cyanide

  • Synonyms:

    3,5-Dibromobenzylcyanide;3,5-Dibromobenzyl cyanide;2-(3,5-dibromophenyl)acetonitrile;Benzeneacetonitrile, 3,5-dibromo-;3,5-Dibromophenylacetonitrile;(3,5-DIBROMO-PHENYL)-ACETONITRILE;SCHEMBL502100;3,5-Dibromobenzeneacetonitrile;(3,5-Dibromophenyl)acetonitrile;CTK4D9773

  • Categories:

    Chemical Reagents  >  Organic Reagents

3,5-Dibromobenzyl cyanide Basic Attributes

274.95

272.87900

DTXSID90616437

2926909090

Characteristics

23.8

3

1.857g/cm3

344°C at 760 mmHg

161.9ºC

1.607

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3,5-Dibromobenzyl cyanide Use and Manufacturing

A suspension of l, 3-Dibromo-5-chloromethyl-benzene (2) (21.0 g, 73.9 mmol), KCN (24.1 g, 369.7 mmol) and 18-Crown-6 (1.95 g, 7.40 mmol) in acetonitrile (250 mL) was stirred for overnight at rt. The reaction mixture was concentrated under reduced pressure. The resulting residue was taken in water and extracted with DCM (3 x 150 mL), organic layer was dried over sodium sulfate concentrated under reduced pressure to afford 25 gm of crude 3 which was purified by column chromatography [silica gel (100-200) and 0.5percent ethyl acetate/hexane as eluent] to get 14.5 gm of compound 3 as off white solid.A suspension of 1, 3-dibromo-5-(chloromethyl)benzene (12.11 g, 42.58 mmol, 1 eq), KCN (13.86 g, 212.92 mmol, 9.12 mL, 5 eq) and 1, 4, 7, 10, 13, 16- hexaoxacyclooctadecane (1.13 g, 4.26 mmol, 0.1 eq) in CH

Computed Properties

Molecular Weight:274.94
XLogP3:3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:274.87682
Monoisotopic Mass:272.87887
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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